Abstract
A computer-assisted approach that aspires to bridge macrocopic numerical analysis techniques for the cloed equations directly with microscopic/stochastic simulation codes was demonstrated in the Brownian dynamics context. This system-identification-based, computational "closure-on-demand" approach sidesteps the necessity of deriving good explicit closures. It enables state-of-the-art microscopic codes, by wrapping a computational superstructure around them, to perform tasks they were not in principle designed for.
Original language | English (US) |
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Pages (from-to) | 10149-10156 |
Number of pages | 8 |
Journal | Journal of Chemical Physics |
Volume | 118 |
Issue number | 22 |
DOIs | |
State | Published - Jun 8 2003 |
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry